SCHEMBL959942

SCHEMBL959942

O=C(O)c1cccc(-c2cccc(Oc3cc(Cl)cc(Cl)c3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMO O15229 3/20 0.43
CNR1 P21554 1/20 0.43
CTRC Q99895 1/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
AKR1C3 P42330 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ACLY P53396 1/20 0.41
GRM5 P41594 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL958267 0.86 L3MBTL1 (0.60) L3MBTL1NPC1RAB9ACNR1GPR52
SCHEMBL959188 0.85 KMO (0.63) RXRARXRBMRGPRX4L3MBTL1KMO
SCHEMBL958467 0.81 GPR52 (0.63) BCL2L1MCL1GPR52GRM5
SCHEMBL959319 0.81 MRGPRX4 (0.61) RXRARXRBMRGPRX4L3MBTL1NPC1
SCHEMBL959832 0.81 GPR52 (0.46) L3MBTL1CNR1BCL2L1MCL1GPR52
SCHEMBL23943587 0.80 HSD17B14 (0.60)
SCHEMBL30510858 0.80 HSD17B14 (0.60)
SCHEMBL958528 0.80 GPR52 (0.56) MRGPRX4BCL2L1MCL1GPR52GRM5
SCHEMBL961442 0.80 MRGPRX4 (0.50) RXRARXRBMRGPRX4L3MBTL1NPC1
SCHEMBL961657 0.79 MAP4K4 (0.53) L3MBTL1NPC1RAB9ACNR1BCL2L1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 RXRA 18/4885RXRB 24/4885MRGPRX4 133/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.